Molecule ID: mol20623

SMILES: Cc1cccc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)n1

InChI: InChI=1S/C22H22N2O3/c1-15-4-2-6-18(24-15)14-26-19-7-8-21-20(11-19)22(25)17(13-27-21)10-16-5-3-9-23-12-16/h2-9,11-12,17,22,25H,10,13-14H2,1H3/t17-,22-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.96 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization